data_6508 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; complex structure of PCAF bromodomain with small chemical ligand NP1 ; _BMRB_accession_number 6508 _BMRB_flat_file_name bmr6508.str _Entry_type original _Submission_date 2005-02-17 _Accession_date 2005-02-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zeng L. . . 2 Li J. . . 3 Muller M. . . 4 Yan S. . . 5 Mujtaba S. . . 6 Pan C. . . 7 Wang Z. . . 8 Zhou M. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 663 "13C chemical shifts" 408 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-19 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6507 'PCAF with NP2' stop_ _Original_release_date 2005-08-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Selective small molecules blocking HIV-1 Tat and coactivator PCAF association' _Citation_status submitted _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15724976 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zeng L. . . 2 Li J. . . 3 Muller M. . . 4 Yan S. . . 5 Mujtaba S. . . 6 Pan C. . . 7 Wang Z. . . 8 Zhou M. M. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 127(8) _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2376 _Page_last 2377 _Year 2005 _Details . loop_ _Keyword BROMODOMAIN 'CHEMICAL LIGAND' HISTONE-ACETYLTRANSFERASE NMR-STRUCTURE stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Histone acetylatransferase PCAF (E.C.2.3.1.48)' _Abbreviation_common PCAF _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Histone acetylatransferase' $PCAF 'CALCIUM (II) ION' $CA_2+ NP1 $NP1 stop_ _System_molecular_weight . _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PCAF _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Histone acetylatransferase PCAF (E.C.2.3.1.48)' _Abbreviation_common PCAF _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; GSHMSKEPRDPDQLYSTLKS ILQQVKSHQSAWPFMEPVKR TEAPGYYEVIRFPMDLKTMS ERLKNRYYVSKKLFMADLQR VFTNCKEYNPPESEYYKCAN ILEKFFFSKIKEAGLIDK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 SER 6 LYS 7 GLU 8 PRO 9 ARG 10 ASP 11 PRO 12 ASP 13 GLN 14 LEU 15 TYR 16 SER 17 THR 18 LEU 19 LYS 20 SER 21 ILE 22 LEU 23 GLN 24 GLN 25 VAL 26 LYS 27 SER 28 HIS 29 GLN 30 SER 31 ALA 32 TRP 33 PRO 34 PHE 35 MET 36 GLU 37 PRO 38 VAL 39 LYS 40 ARG 41 THR 42 GLU 43 ALA 44 PRO 45 GLY 46 TYR 47 TYR 48 GLU 49 VAL 50 ILE 51 ARG 52 PHE 53 PRO 54 MET 55 ASP 56 LEU 57 LYS 58 THR 59 MET 60 SER 61 GLU 62 ARG 63 LEU 64 LYS 65 ASN 66 ARG 67 TYR 68 TYR 69 VAL 70 SER 71 LYS 72 LYS 73 LEU 74 PHE 75 MET 76 ALA 77 ASP 78 LEU 79 GLN 80 ARG 81 VAL 82 PHE 83 THR 84 ASN 85 CYS 86 LYS 87 GLU 88 TYR 89 ASN 90 PRO 91 PRO 92 GLU 93 SER 94 GLU 95 TYR 96 TYR 97 LYS 98 CYS 99 ALA 100 ASN 101 ILE 102 LEU 103 GLU 104 LYS 105 PHE 106 PHE 107 PHE 108 SER 109 LYS 110 ILE 111 LYS 112 GLU 113 ALA 114 GLY 115 LEU 116 ILE 117 ASP 118 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4312 brd_monomer 100.00 118 98.31 98.31 1.63e-79 BMRB 6507 PCAF 100.00 118 100.00 100.00 1.47e-81 PDB 1JM4 "Nmr Structure Of PCAF BROMODOMAIN IN COMPLEX WITH HIV-1 Tat Peptide" 100.00 118 100.00 100.00 1.47e-81 PDB 1N72 "Structure And Ligand Of A Histone Acetyltransferase Bromodomain" 100.00 118 100.00 100.00 1.47e-81 PDB 1WUG "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np1" 100.00 118 100.00 100.00 1.47e-81 PDB 1WUM "Complex Structure Of Pcaf Bromodomain With Small Chemical Ligand Np2" 100.00 118 100.00 100.00 1.47e-81 PDB 1ZS5 "Structure-Based Evaluation Of Selective And Non-Selective Small Molecules That Block Hiv-1 Tat And Pcaf Association" 100.00 118 100.00 100.00 1.47e-81 PDB 2RNW "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" 100.00 118 100.00 100.00 1.47e-81 PDB 2RNX "The Structural Basis For Site-Specific Lysine-Acetylated Histone Recognition By The Bromodomains Of The Human Transcriptional C" 100.00 118 100.00 100.00 1.47e-81 PDB 3GG3 "Crystal Structure Of The Bromodomain Of Human Pcaf" 99.15 119 97.44 97.44 5.84e-78 DBJ BAI45566 "K(lysine) acetyltransferase 2B [synthetic construct]" 100.00 832 97.46 97.46 4.46e-72 GB AAH60823 "K(lysine) acetyltransferase 2B [Homo sapiens]" 100.00 832 97.46 97.46 4.46e-72 GB AAH70075 "K(lysine) acetyltransferase 2B [Homo sapiens]" 100.00 832 97.46 97.46 4.46e-72 GB EAW64305 "p300/CBP-associated factor, isoform CRA_a, partial [Homo sapiens]" 100.00 825 97.46 97.46 5.76e-72 GB EHH16790 "hypothetical protein EGK_12137 [Macaca mulatta]" 100.00 675 97.46 97.46 1.39e-72 GB EHH51702 "hypothetical protein EGM_11131 [Macaca fascicularis]" 100.00 675 97.46 97.46 1.39e-72 REF NP_003875 "histone acetyltransferase KAT2B [Homo sapiens]" 100.00 832 97.46 97.46 4.46e-72 REF XP_001086807 "PREDICTED: histone acetyltransferase KAT2B-like [Macaca mulatta]" 100.00 858 97.46 97.46 1.24e-71 REF XP_002814059 "PREDICTED: histone acetyltransferase KAT2B-like, partial [Pongo abelii]" 100.00 252 97.46 97.46 1.07e-76 REF XP_003257301 "PREDICTED: histone acetyltransferase KAT2B [Nomascus leucogenys]" 100.00 811 97.46 97.46 3.89e-72 REF XP_003480051 "PREDICTED: histone acetyltransferase KAT2B [Cavia porcellus]" 100.00 771 97.46 97.46 5.87e-72 SP Q92831 "RecName: Full=Histone acetyltransferase KAT2B; AltName: Full=Histone acetyltransferase PCAF; Short=Histone acetylase PCAF; AltN" 100.00 832 97.46 97.46 4.46e-72 stop_ save_ ############# # Ligands # ############# save_CA_2+ _Saveframe_category ligand _Mol_type non-polymer _Name_common 'CALCIUM (II) ION' _Abbreviation_common Ca _BMRB_code CA_2+ _PDB_code CA _Molecular_mass . _Mol_charge 2+ _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2+ . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_NP1 _Saveframe_category ligand _Mol_type non-polymer _Name_common "NP1 (N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE)" _BMRB_code . _PDB_code NP1 _Molecular_mass 209.245 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 9 15:08:02 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons NZ NZ N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? NE NE N . 0 . ? CD CD C . 0 . ? CE1 CE1 C . 0 . ? CE2 CE2 C . 0 . ? NO2 NO2 N . 1 . ? OC1 OC1 O . 0 . ? OC2 OC2 O . -1 . ? CR1 CR1 C . 0 . ? CR2 CR2 C . 0 . ? CZ CZ C . 0 . ? CM CM C . 0 . ? HNZ1 HNZ1 H . 0 . ? HNZ2 HNZ2 H . 0 . ? HA1 HA1 H . 0 . ? HA2 HA2 H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HG1 HG1 H . 0 . ? HG2 HG2 H . 0 . ? HNE HNE H . 0 . ? HE1 HE1 H . 0 . ? HR1 HR1 H . 0 . ? HR2 HR2 H . 0 . ? HM1 HM1 H . 0 . ? HM2 HM2 H . 0 . ? HM3 HM3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING NZ CA ? ? SING NZ HNZ1 ? ? SING NZ HNZ2 ? ? SING CA CB ? ? SING CA HA1 ? ? SING CA HA2 ? ? SING CB CG ? ? SING CB HB1 ? ? SING CB HB2 ? ? SING CG NE ? ? SING CG HG1 ? ? SING CG HG2 ? ? SING NE CD ? ? SING NE HNE ? ? DOUB CD CE1 ? ? SING CD CE2 ? ? SING CE1 CR1 ? ? SING CE1 HE1 ? ? SING CE2 NO2 ? ? DOUB CE2 CR2 ? ? DOUB NO2 OC1 ? ? SING NO2 OC2 ? ? DOUB CR1 CZ ? ? SING CR1 HR1 ? ? SING CR2 CZ ? ? SING CR2 HR2 ? ? SING CZ CM ? ? SING CM HM1 ? ? SING CM HM2 ? ? SING CM HM3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PCAF Human 9606 Eukaryota Metazoa Homon sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PCAF 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PCAF 0.5 mM . 'phosphate buffer' 100 mM . DTT 5 mM . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_3D_13C_SEPARATED_FILTERED_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C SEPARATED FILTERED NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C SEPARATED FILTERED NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 external indirect . . . 0.25144953 H2O H 1 protons ppm 4.79 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.10132911 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_ref_1 _Mol_system_component_name 'Histone acetylatransferase' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 5 SER HA H 4.451 . . 2 . 5 SER HB2 H 3.896 . . 3 . 5 SER CA C 58.274 . . 4 . 5 SER CB C 63.709 . . 5 . 6 LYS H H 8.375 . . 6 . 6 LYS HA H 4.354 . . 7 . 6 LYS HB2 H 1.901 . . 8 . 6 LYS HB3 H 1.757 . . 9 . 6 LYS HG2 H 1.447 . . 10 . 6 LYS HG3 H 1.432 . . 11 . 6 LYS HD2 H 1.680 . . 12 . 6 LYS HE2 H 3.008 . . 13 . 6 LYS CA C 55.787 . . 14 . 6 LYS CB C 32.889 . . 15 . 6 LYS CG C 24.718 . . 16 . 6 LYS CD C 28.968 . . 17 . 6 LYS CE C 41.812 . . 18 . 6 LYS N N 123.159 . . 19 . 7 GLU H H 8.329 . . 20 . 7 GLU HA H 4.570 . . 21 . 7 GLU HB2 H 2.062 . . 22 . 7 GLU HB3 H 1.920 . . 23 . 7 GLU HG2 H 2.303 . . 24 . 7 GLU CA C 54.337 . . 25 . 7 GLU CB C 29.653 . . 26 . 7 GLU CG C 35.919 . . 27 . 7 GLU N N 123.005 . . 28 . 8 PRO HA H 4.449 . . 29 . 8 PRO HB2 H 2.279 . . 30 . 8 PRO HB3 H 1.895 . . 31 . 8 PRO HG2 H 2.040 . . 32 . 8 PRO HD2 H 3.857 . . 33 . 8 PRO HD3 H 3.713 . . 34 . 8 PRO CA C 63.004 . . 35 . 8 PRO CB C 32.143 . . 36 . 8 PRO CG C 27.414 . . 37 . 8 PRO CD C 50.560 . . 38 . 9 ARG H H 8.463 . . 39 . 9 ARG HA H 4.349 . . 40 . 9 ARG HB2 H 1.872 . . 41 . 9 ARG HB3 H 1.791 . . 42 . 9 ARG HG2 H 1.683 . . 43 . 9 ARG HD2 H 3.201 . . 44 . 9 ARG CA C 55.811 . . 45 . 9 ARG CB C 30.898 . . 46 . 9 ARG CG C 27.211 . . 47 . 9 ARG CD C 43.273 . . 48 . 9 ARG N N 120.689 . . 49 . 10 ASP H H 8.263 . . 50 . 10 ASP HA H 4.899 . . 51 . 10 ASP HB2 H 2.794 . . 52 . 10 ASP HB3 H 2.724 . . 53 . 10 ASP CA C 52.302 . . 54 . 10 ASP CB C 41.351 . . 55 . 10 ASP N N 122.039 . . 56 . 11 PRO HA H 4.361 . . 57 . 11 PRO HB2 H 2.341 . . 58 . 11 PRO HB3 H 2.084 . . 59 . 11 PRO HG2 H 2.098 . . 60 . 11 PRO HD2 H 3.897 . . 61 . 11 PRO CA C 64.747 . . 62 . 11 PRO CB C 32.391 . . 63 . 11 PRO CG C 27.470 . . 64 . 11 PRO CD C 50.809 . . 65 . 12 ASP H H 8.411 . . 66 . 12 ASP HA H 4.712 . . 67 . 12 ASP HB2 H 2.844 . . 68 . 12 ASP HB3 H 2.775 . . 69 . 12 ASP CA C 55.787 . . 70 . 12 ASP CB C 40.853 . . 71 . 12 ASP N N 119.763 . . 72 . 13 GLN H H 8.196 . . 73 . 13 GLN HA H 4.215 . . 74 . 13 GLN HB2 H 2.184 . . 75 . 13 GLN HG2 H 2.528 . . 76 . 13 GLN HG3 H 2.412 . . 77 . 13 GLN CA C 58.276 . . 78 . 13 GLN CB C 28.906 . . 79 . 13 GLN CG C 33.852 . . 80 . 13 GLN N N 121.461 . . 81 . 14 LEU H H 8.197 . . 82 . 14 LEU HA H 4.081 . . 83 . 14 LEU HB2 H 1.884 . . 84 . 14 LEU HB3 H 1.585 . . 85 . 14 LEU HG H 1.482 . . 86 . 14 LEU HD1 H 0.842 . . 87 . 14 LEU HD2 H 0.812 . . 88 . 14 LEU CA C 58.275 . . 89 . 14 LEU CB C 41.102 . . 90 . 14 LEU CG C 26.916 . . 91 . 14 LEU CD1 C 25.672 . . 92 . 14 LEU CD2 C 23.182 . . 93 . 14 LEU N N 121.461 . . 94 . 15 TYR H H 7.996 . . 95 . 15 TYR HA H 4.041 . . 96 . 15 TYR HB2 H 3.346 . . 97 . 15 TYR HB3 H 3.079 . . 98 . 15 TYR HD1 H 7.075 . . 99 . 15 TYR HE1 H 6.908 . . 100 . 15 TYR CA C 62.071 . . 101 . 15 TYR CB C 38.561 . . 102 . 15 TYR CD1 C 132.883 . . 103 . 15 TYR CE1 C 118.389 . . 104 . 15 TYR N N 118.981 . . 105 . 16 SER H H 8.207 . . 106 . 16 SER HA H 4.202 . . 107 . 16 SER HB2 H 4.057 . . 108 . 16 SER HB3 H 3.943 . . 109 . 16 SER CA C 58.027 . . 110 . 16 SER CB C 62.009 . . 111 . 16 SER N N 112.198 . . 112 . 17 THR H H 8.032 . . 113 . 17 THR HA H 3.959 . . 114 . 17 THR HB H 4.283 . . 115 . 17 THR HG2 H 1.170 . . 116 . 17 THR CA C 66.738 . . 117 . 17 THR CB C 68.481 . . 118 . 17 THR CG2 C 21.440 . . 119 . 17 THR N N 120.371 . . 120 . 18 LEU H H 8.504 . . 121 . 18 LEU HA H 3.295 . . 122 . 18 LEU HB2 H 1.552 . . 123 . 18 LEU HB3 H 0.351 . . 124 . 18 LEU HG H 1.698 . . 125 . 18 LEU HD1 H 0.512 . . 126 . 18 LEU HD2 H -0.163 . . 127 . 18 LEU CA C 57.778 . . 128 . 18 LEU CB C 39.609 . . 129 . 18 LEU CG C 24.675 . . 130 . 18 LEU CD1 C 25.423 . . 131 . 18 LEU CD2 C 19.983 . . 132 . 18 LEU N N 120.689 . . 133 . 19 LYS H H 8.572 . . 134 . 19 LYS HA H 3.715 . . 135 . 19 LYS HB2 H 1.729 . . 136 . 19 LYS HB3 H 1.398 . . 137 . 19 LYS HG2 H 1.283 . . 138 . 19 LYS HD2 H 1.648 . . 139 . 19 LYS HE2 H 2.958 . . 140 . 19 LYS CA C 59.898 . . 141 . 19 LYS CB C 32.391 . . 142 . 19 LYS CG C 24.676 . . 143 . 19 LYS CD C 29.654 . . 144 . 19 LYS CE C 41.850 . . 145 . 19 LYS N N 118.682 . . 146 . 20 SER H H 7.550 . . 147 . 20 SER HA H 4.318 . . 148 . 20 SER HB2 H 4.084 . . 149 . 20 SER CA C 61.263 . . 150 . 20 SER CB C 62.759 . . 151 . 20 SER N N 113.278 . . 152 . 21 ILE H H 7.950 . . 153 . 21 ILE HA H 3.790 . . 154 . 21 ILE HB H 1.937 . . 155 . 21 ILE HG12 H 1.765 . . 156 . 21 ILE HG13 H 1.066 . . 157 . 21 ILE HG2 H 1.015 . . 158 . 21 ILE HD1 H 0.645 . . 159 . 21 ILE CA C 65.244 . . 160 . 21 ILE CB C 37.547 . . 161 . 21 ILE CG1 C 28.409 . . 162 . 21 ILE CG2 C 17.299 . . 163 . 21 ILE CD1 C 13.476 . . 164 . 21 ILE N N 120.689 . . 165 . 22 LEU H H 8.834 . . 166 . 22 LEU HA H 4.150 . . 167 . 22 LEU HB2 H 2.134 . . 168 . 22 LEU HB3 H 1.725 . . 169 . 22 LEU HG H 1.793 . . 170 . 22 LEU HD1 H 1.108 . . 171 . 22 LEU HD2 H 1.050 . . 172 . 22 LEU CA C 58.320 . . 173 . 22 LEU CB C 41.674 . . 174 . 22 LEU CG C 27.414 . . 175 . 22 LEU CD1 C 26.418 . . 176 . 22 LEU CD2 C 23.776 . . 177 . 22 LEU N N 120.072 . . 178 . 23 GLN H H 8.535 . . 179 . 23 GLN HA H 4.064 . . 180 . 23 GLN HB2 H 2.367 . . 181 . 23 GLN HB3 H 2.270 . . 182 . 23 GLN HG2 H 2.568 . . 183 . 23 GLN HG3 H 2.487 . . 184 . 23 GLN CA C 59.520 . . 185 . 23 GLN CB C 28.160 . . 186 . 23 GLN CG C 33.884 . . 187 . 23 GLN N N 117.293 . . 188 . 24 GLN H H 8.028 . . 189 . 24 GLN HA H 4.212 . . 190 . 24 GLN HB2 H 2.510 . . 191 . 24 GLN HB3 H 2.400 . . 192 . 24 GLN HG2 H 2.867 . . 193 . 24 GLN HG3 H 2.491 . . 194 . 24 GLN HE21 H 7.044 . . 195 . 24 GLN HE22 H 6.893 . . 196 . 24 GLN CA C 59.520 . . 197 . 24 GLN CB C 29.654 . . 198 . 24 GLN CG C 35.378 . . 199 . 24 GLN CD C 180.060 . . 200 . 24 GLN N N 118.836 . . 201 . 24 GLN NE2 N 110.317 . . 202 . 25 VAL H H 8.536 . . 203 . 25 VAL HA H 3.869 . . 204 . 25 VAL HB H 2.439 . . 205 . 25 VAL HG1 H 1.239 . . 206 . 25 VAL HG2 H 1.086 . . 207 . 25 VAL CA C 67.236 . . 208 . 25 VAL CB C 31.644 . . 209 . 25 VAL CG1 C 23.033 . . 210 . 25 VAL CG2 C 22.187 . . 211 . 25 VAL N N 119.763 . . 212 . 26 LYS H H 8.580 . . 213 . 26 LYS HA H 3.949 . . 214 . 26 LYS HB2 H 1.909 . . 215 . 26 LYS HG2 H 1.532 . . 216 . 26 LYS HD2 H 1.839 . . 217 . 26 LYS HE2 H 2.886 . . 218 . 26 LYS CA C 59.507 . . 219 . 26 LYS CB C 32.889 . . 220 . 26 LYS CG C 26.885 . . 221 . 26 LYS CD C 31.147 . . 222 . 26 LYS CE C 40.854 . . 223 . 26 LYS N N 114.668 . . 224 . 27 SER H H 7.568 . . 225 . 27 SER HA H 4.479 . . 226 . 27 SER HB2 H 4.043 . . 227 . 27 SER CA C 58.713 . . 228 . 27 SER CB C 63.955 . . 229 . 27 SER N N 110.654 . . 230 . 28 HIS H H 7.572 . . 231 . 28 HIS HA H 4.011 . . 232 . 28 HIS HB2 H 3.027 . . 233 . 28 HIS HB3 H 2.809 . . 234 . 28 HIS HD2 H 5.016 . . 235 . 28 HIS HE1 H 7.597 . . 236 . 28 HIS CA C 58.276 . . 237 . 28 HIS CB C 32.251 . . 238 . 28 HIS CD2 C 117.147 . . 239 . 28 HIS CE1 C 137.645 . . 240 . 28 HIS N N 125.630 . . 241 . 29 GLN H H 8.624 . . 242 . 29 GLN HA H 4.217 . . 243 . 29 GLN HB2 H 2.125 . . 244 . 29 GLN HG2 H 2.505 . . 245 . 29 GLN HG3 H 2.412 . . 246 . 29 GLN HE21 H 7.583 . . 247 . 29 GLN HE22 H 6.884 . . 248 . 29 GLN CA C 59.023 . . 249 . 29 GLN CB C 28.409 . . 250 . 29 GLN CG C 33.635 . . 251 . 29 GLN N N 129.026 . . 252 . 29 GLN NE2 N 112.217 . . 253 . 30 SER H H 0.079 . . 254 . 30 SER HA H 4.821 . . 255 . 30 SER HB2 H 4.338 . . 256 . 30 SER HB3 H 3.975 . . 257 . 30 SER CA C 60.018 . . 258 . 30 SER CB C 63.503 . . 259 . 30 SER N N 118.991 . . 260 . 31 ALA H H 7.934 . . 261 . 31 ALA HA H 4.428 . . 262 . 31 ALA HB H 1.764 . . 263 . 31 ALA CA C 53.233 . . 264 . 31 ALA CB C 20.014 . . 265 . 31 ALA N N 117.756 . . 266 . 32 TRP H H 7.087 . . 267 . 32 TRP HA H 4.438 . . 268 . 32 TRP HB2 H 3.656 . . 269 . 32 TRP HB3 H 3.419 . . 270 . 32 TRP HD1 H 7.875 . . 271 . 32 TRP HE1 H 10.414 . . 272 . 32 TRP HE3 H 7.382 . . 273 . 32 TRP HZ2 H 7.272 . . 274 . 32 TRP HZ3 H 7.185 . . 275 . 32 TRP HH2 H 7.127 . . 276 . 32 TRP CA C 60.516 . . 277 . 32 TRP CB C 27.912 . . 278 . 32 TRP CD1 C 127.292 . . 279 . 32 TRP CE3 C 121.081 . . 280 . 32 TRP CZ2 C 114.662 . . 281 . 32 TRP CZ3 C 121.288 . . 282 . 32 TRP CH2 C 124.808 . . 283 . 32 TRP N N 116.521 . . 284 . 33 PRO HA H 3.986 . . 285 . 33 PRO HB2 H 1.044 . . 286 . 33 PRO HB3 H -0.094 . . 287 . 33 PRO HG2 H 0.285 . . 288 . 33 PRO HG3 H -0.709 . . 289 . 33 PRO HD2 H 2.265 . . 290 . 33 PRO HD3 H 1.633 . . 291 . 33 PRO CA C 64.498 . . 292 . 33 PRO CB C 30.152 . . 293 . 33 PRO CG C 25.671 . . 294 . 33 PRO CD C 50.062 . . 295 . 34 PHE H H 7.584 . . 296 . 34 PHE HA H 5.214 . . 297 . 34 PHE HB2 H 3.582 . . 298 . 34 PHE HB3 H 2.640 . . 299 . 34 PHE HD1 H 7.243 . . 300 . 34 PHE HE1 H 7.194 . . 301 . 34 PHE HZ H 7.290 . . 302 . 34 PHE CA C 55.777 . . 303 . 34 PHE CB C 39.111 . . 304 . 34 PHE CD1 C 132.025 . . 305 . 34 PHE N N 112.352 . . 306 . 35 MET H H 7.306 . . 307 . 35 MET HA H 4.371 . . 308 . 35 MET HB2 H 2.288 . . 309 . 35 MET HB3 H 2.231 . . 310 . 35 MET HG2 H 2.902 . . 311 . 35 MET HE H 2.213 . . 312 . 35 MET CA C 57.031 . . 313 . 35 MET CB C 32.143 . . 314 . 35 MET CG C 33.138 . . 315 . 35 MET CE C 16.711 . . 316 . 35 MET N N 117.910 . . 317 . 36 GLU H H 7.635 . . 318 . 36 GLU HA H 4.809 . . 319 . 36 GLU HB2 H 2.142 . . 320 . 36 GLU HB3 H 1.771 . . 321 . 36 GLU HG2 H 2.216 . . 322 . 36 GLU CA C 53.298 . . 323 . 36 GLU CB C 31.396 . . 324 . 36 GLU CG C 35.876 . . 325 . 36 GLU N N 113.278 . . 326 . 37 PRO HA H 4.253 . . 327 . 37 PRO HB2 H 2.338 . . 328 . 37 PRO HB3 H 1.631 . . 329 . 37 PRO HG2 H 2.169 . . 330 . 37 PRO HG3 H 1.977 . . 331 . 37 PRO HD2 H 3.683 . . 332 . 37 PRO CA C 62.756 . . 333 . 37 PRO CB C 31.894 . . 334 . 37 PRO CG C 27.164 . . 335 . 37 PRO CD C 50.560 . . 336 . 38 VAL H H 8.335 . . 337 . 38 VAL HA H 3.257 . . 338 . 38 VAL HB H 0.852 . . 339 . 38 VAL HG1 H 0.151 . . 340 . 38 VAL HG2 H -0.371 . . 341 . 38 VAL CA C 63.751 . . 342 . 38 VAL CB C 32.143 . . 343 . 38 VAL CG1 C 21.690 . . 344 . 38 VAL CG2 C 21.441 . . 345 . 38 VAL N N 125.475 . . 346 . 39 LYS H H 9.725 . . 347 . 39 LYS HA H 4.513 . . 348 . 39 LYS HB2 H 1.975 . . 349 . 39 LYS HB3 H 1.543 . . 350 . 39 LYS HG2 H 1.467 . . 351 . 39 LYS HG3 H 1.417 . . 352 . 39 LYS HD2 H 1.751 . . 353 . 39 LYS HD3 H 1.573 . . 354 . 39 LYS HE2 H 2.966 . . 355 . 39 LYS HE3 H 2.965 . . 356 . 39 LYS CA C 55.787 . . 357 . 39 LYS CB C 33.636 . . 358 . 39 LYS CG C 25.447 . . 359 . 39 LYS CD C 29.156 . . 360 . 39 LYS CE C 40.605 . . 361 . 39 LYS N N 110.808 . . 362 . 40 ARG H H 8.094 . . 363 . 40 ARG HA H 3.722 . . 364 . 40 ARG HB2 H 1.935 . . 365 . 40 ARG HB3 H 1.816 . . 366 . 40 ARG HG2 H 1.465 . . 367 . 40 ARG HG3 H 1.322 . . 368 . 40 ARG CB C 29.654 . . 369 . 40 ARG N N 120.844 . . 370 . 41 THR HA H 4.061 . . 371 . 41 THR HB H 4.316 . . 372 . 41 THR HG2 H 1.274 . . 373 . 41 THR CA C 63.004 . . 374 . 41 THR CB C 68.480 . . 375 . 41 THR CG2 C 22.436 . . 376 . 42 GLU H H 7.185 . . 377 . 42 GLU HA H 4.616 . . 378 . 42 GLU HB2 H 2.389 . . 379 . 42 GLU HB3 H 1.880 . . 380 . 42 GLU HG2 H 2.585 . . 381 . 42 GLU HG3 H 2.060 . . 382 . 42 GLU CA C 55.787 . . 383 . 42 GLU CB C 30.898 . . 384 . 42 GLU CG C 35.378 . . 385 . 42 GLU N N 118.528 . . 386 . 43 ALA H H 6.803 . . 387 . 43 ALA HA H 4.921 . . 388 . 43 ALA HB H 0.735 . . 389 . 43 ALA CA C 49.565 . . 390 . 43 ALA CB C 20.196 . . 391 . 43 ALA N N 121.461 . . 392 . 44 PRO HA H 4.525 . . 393 . 44 PRO HB2 H 2.392 . . 394 . 44 PRO HB3 H 2.061 . . 395 . 44 PRO HG2 H 2.228 . . 396 . 44 PRO HG3 H 2.074 . . 397 . 44 PRO HD2 H 3.765 . . 398 . 44 PRO HD3 H 3.598 . . 399 . 44 PRO CA C 64.249 . . 400 . 44 PRO CB C 31.645 . . 401 . 44 PRO CG C 27.663 . . 402 . 44 PRO CD C 50.311 . . 403 . 45 GLY HA2 H 3.881 . . 404 . 45 GLY CA C 43.343 . . 405 . 46 TYR H H 8.054 . . 406 . 46 TYR HA H 3.421 . . 407 . 46 TYR HB2 H 2.701 . . 408 . 46 TYR HB3 H 2.289 . . 409 . 46 TYR HD1 H 4.915 . . 410 . 46 TYR HE1 H 5.998 . . 411 . 46 TYR CA C 62.756 . . 412 . 46 TYR CB C 39.609 . . 413 . 46 TYR CD1 C 132.676 . . 414 . 46 TYR CE1 C 116.733 . . 415 . 46 TYR N N 122.696 . . 416 . 47 TYR H H 8.583 . . 417 . 47 TYR HA H 4.189 . . 418 . 47 TYR HB2 H 3.229 . . 419 . 47 TYR HB3 H 2.801 . . 420 . 47 TYR HD1 H 7.340 . . 421 . 47 TYR HE1 H 6.624 . . 422 . 47 TYR CA C 60.516 . . 423 . 47 TYR CB C 36.871 . . 424 . 47 TYR CD1 C 133.090 . . 425 . 47 TYR CE1 C 117.354 . . 426 . 47 TYR N N 112.661 . . 427 . 48 GLU H H 7.688 . . 428 . 48 GLU HA H 4.251 . . 429 . 48 GLU HB2 H 2.180 . . 430 . 48 GLU HB3 H 2.112 . . 431 . 48 GLU HG2 H 2.384 . . 432 . 48 GLU HG3 H 2.233 . . 433 . 48 GLU CA C 57.778 . . 434 . 48 GLU CB C 31.147 . . 435 . 48 GLU CG C 37.120 . . 436 . 48 GLU N N 118.064 . . 437 . 49 VAL H H 7.135 . . 438 . 49 VAL HA H 4.077 . . 439 . 49 VAL HB H 2.021 . . 440 . 49 VAL HG1 H 0.985 . . 441 . 49 VAL HG2 H 1.068 . . 442 . 49 VAL CA C 63.004 . . 443 . 49 VAL CB C 33.636 . . 444 . 49 VAL CG1 C 20.943 . . 445 . 49 VAL CG2 C 20.694 . . 446 . 49 VAL N N 115.594 . . 447 . 50 ILE H H 8.103 . . 448 . 50 ILE HA H 3.933 . . 449 . 50 ILE HB H 1.296 . . 450 . 50 ILE HG12 H 0.810 . . 451 . 50 ILE HG13 H 0.071 . . 452 . 50 ILE HG2 H 0.393 . . 453 . 50 ILE HD1 H 0.553 . . 454 . 50 ILE CA C 57.280 . . 455 . 50 ILE CB C 34.133 . . 456 . 50 ILE CG1 C 24.427 . . 457 . 50 ILE CG2 C 16.175 . . 458 . 50 ILE CD1 C 9.245 . . 459 . 50 ILE N N 122.542 . . 460 . 51 ARG H H 7.693 . . 461 . 51 ARG HA H 3.902 . . 462 . 51 ARG HB2 H 1.364 . . 463 . 51 ARG HB3 H 1.187 . . 464 . 51 ARG HG2 H 1.335 . . 465 . 51 ARG HG3 H 1.198 . . 466 . 51 ARG HD2 H 3.007 . . 467 . 51 ARG CA C 57.031 . . 468 . 51 ARG CB C 30.401 . . 469 . 51 ARG CG C 26.916 . . 470 . 51 ARG CD C 42.596 . . 471 . 51 ARG N N 125.321 . . 472 . 52 PHE H H 8.445 . . 473 . 52 PHE HA H 5.030 . . 474 . 52 PHE HB2 H 3.071 . . 475 . 52 PHE HB3 H 2.953 . . 476 . 52 PHE HD1 H 7.278 . . 477 . 52 PHE HE1 H 7.255 . . 478 . 52 PHE HZ H 7.327 . . 479 . 52 PHE CA C 54.294 . . 480 . 52 PHE CB C 38.499 . . 481 . 52 PHE CD1 C 132.262 . . 482 . 52 PHE CE1 C 131.640 . . 483 . 52 PHE CZ C 128.742 . . 484 . 52 PHE N N 116.829 . . 485 . 53 PRO HA H 4.092 . . 486 . 53 PRO HB2 H 2.249 . . 487 . 53 PRO HG2 H 2.222 . . 488 . 53 PRO HG3 H 1.926 . . 489 . 53 PRO HD2 H 3.665 . . 490 . 53 PRO HD3 H 3.397 . . 491 . 53 PRO CA C 63.005 . . 492 . 53 PRO CB C 32.392 . . 493 . 53 PRO CG C 27.663 . . 494 . 53 PRO CD C 50.311 . . 495 . 54 MET H H 8.313 . . 496 . 54 MET HA H 4.964 . . 497 . 54 MET HB2 H 2.019 . . 498 . 54 MET HB3 H 1.358 . . 499 . 54 MET HG2 H 2.740 . . 500 . 54 MET HG3 H 1.880 . . 501 . 54 MET HE H 1.983 . . 502 . 54 MET CA C 53.547 . . 503 . 54 MET CB C 31.147 . . 504 . 54 MET CG C 30.649 . . 505 . 54 MET CE C 14.027 . . 506 . 54 MET N N 118.836 . . 507 . 55 ASP H H 7.373 . . 508 . 55 ASP HA H 4.812 . . 509 . 55 ASP HB2 H 2.367 . . 510 . 55 ASP CA C 53.298 . . 511 . 55 ASP CB C 44.089 . . 512 . 55 ASP N N 118.836 . . 513 . 56 LEU H H 9.250 . . 514 . 56 LEU HA H 4.066 . . 515 . 56 LEU HB2 H 2.115 . . 516 . 56 LEU HB3 H 1.459 . . 517 . 56 LEU HG H 1.774 . . 518 . 56 LEU HD1 H 0.979 . . 519 . 56 LEU HD2 H 0.690 . . 520 . 56 LEU CA C 57.778 . . 521 . 56 LEU CB C 41.102 . . 522 . 56 LEU CG C 27.414 . . 523 . 56 LEU CD1 C 26.930 . . 524 . 56 LEU CD2 C 22.436 . . 525 . 56 LEU N N 116.366 . . 526 . 57 LYS H H 8.792 . . 527 . 57 LYS HA H 4.247 . . 528 . 57 LYS HB2 H 2.368 . . 529 . 57 LYS HB3 H 2.279 . . 530 . 57 LYS HG2 H 1.535 . . 531 . 57 LYS HG3 H 1.446 . . 532 . 57 LYS HD2 H 1.838 . . 533 . 57 LYS HD3 H 1.707 . . 534 . 57 LYS HE2 H 3.009 . . 535 . 57 LYS CA C 60.255 . . 536 . 57 LYS CB C 31.894 . . 537 . 57 LYS CG C 25.144 . . 538 . 57 LYS CD C 29.903 . . 539 . 57 LYS CE C 41.849 . . 540 . 57 LYS N N 128.254 . . 541 . 58 THR H H 9.394 . . 542 . 58 THR HA H 3.873 . . 543 . 58 THR HB H 4.108 . . 544 . 58 THR HG2 H 1.079 . . 545 . 58 THR CA C 66.738 . . 546 . 58 THR CB C 67.461 . . 547 . 58 THR CG2 C 21.937 . . 548 . 58 THR N N 122.233 . . 549 . 59 MET H H 7.899 . . 550 . 59 MET HA H 4.322 . . 551 . 59 MET HB2 H 2.158 . . 552 . 59 MET HB3 H 1.941 . . 553 . 59 MET HG2 H 2.641 . . 554 . 59 MET HG3 H 2.553 . . 555 . 59 MET HE H 1.296 . . 556 . 59 MET CA C 60.516 . . 557 . 59 MET CB C 33.138 . . 558 . 59 MET CG C 33.138 . . 559 . 59 MET CE C 16.214 . . 560 . 59 MET N N 117.756 . . 561 . 60 SER H H 7.987 . . 562 . 60 SER HA H 4.426 . . 563 . 60 SER HB2 H 4.229 . . 564 . 60 SER HB3 H 4.058 . . 565 . 60 SER CA C 62.615 . . 566 . 60 SER CB C 62.756 . . 567 . 60 SER N N 116.366 . . 568 . 61 GLU H H 8.161 . . 569 . 61 GLU HA H 4.086 . . 570 . 61 GLU HB2 H 2.245 . . 571 . 61 GLU HB3 H 2.097 . . 572 . 61 GLU HG2 H 2.392 . . 573 . 61 GLU HG3 H 2.256 . . 574 . 61 GLU CA C 59.321 . . 575 . 61 GLU CB C 28.906 . . 576 . 61 GLU CG C 36.111 . . 577 . 61 GLU N N 124.549 . . 578 . 62 ARG H H 8.381 . . 579 . 62 ARG HA H 3.890 . . 580 . 62 ARG HB2 H 2.065 . . 581 . 62 ARG HB3 H 1.108 . . 582 . 62 ARG HG2 H 1.732 . . 583 . 62 ARG HG3 H 0.903 . . 584 . 62 ARG HD2 H 2.602 . . 585 . 62 ARG HD3 H 2.069 . . 586 . 62 ARG CA C 60.267 . . 587 . 62 ARG CB C 30.401 . . 588 . 62 ARG CG C 29.155 . . 589 . 62 ARG CD C 43.840 . . 590 . 62 ARG N N 120.380 . . 591 . 63 LEU H H 8.885 . . 592 . 63 LEU HA H 4.706 . . 593 . 63 LEU HB2 H 2.331 . . 594 . 63 LEU HB3 H 1.960 . . 595 . 63 LEU HG H 1.841 . . 596 . 63 LEU HD1 H 0.919 . . 597 . 63 LEU HD2 H 1.077 . . 598 . 63 LEU CA C 58.276 . . 599 . 63 LEU CB C 42.098 . . 600 . 63 LEU CG C 27.165 . . 601 . 63 LEU CD1 C 26.916 . . 602 . 63 LEU CD2 C 25.423 . . 603 . 63 LEU N N 120.380 . . 604 . 64 LYS H H 7.975 . . 605 . 64 LYS HA H 4.376 . . 606 . 64 LYS HB2 H 2.067 . . 607 . 64 LYS HB3 H 2.079 . . 608 . 64 LYS HG2 H 1.630 . . 609 . 64 LYS HD2 H 1.793 . . 610 . 64 LYS HE2 H 3.026 . . 611 . 64 LYS HE3 H 3.025 . . 612 . 64 LYS CA C 59.271 . . 613 . 64 LYS CB C 32.143 . . 614 . 64 LYS CG C 24.925 . . 615 . 64 LYS CD C 29.405 . . 616 . 64 LYS CE C 42.098 . . 617 . 64 LYS N N 119.917 . . 618 . 65 ASN H H 7.960 . . 619 . 65 ASN HA H 4.807 . . 620 . 65 ASN HB2 H 3.037 . . 621 . 65 ASN HB3 H 2.794 . . 622 . 65 ASN HD21 H 7.605 . . 623 . 65 ASN HD22 H 6.973 . . 624 . 65 ASN CA C 53.298 . . 625 . 65 ASN CB C 38.160 . . 626 . 65 ASN N N 116.212 . . 627 . 65 ASN ND2 N 112.352 . . 628 . 66 ARG H H 8.184 . . 629 . 66 ARG HA H 4.429 . . 630 . 66 ARG HB2 H 2.114 . . 631 . 66 ARG HB3 H 2.036 . . 632 . 66 ARG HG2 H 1.588 . . 633 . 66 ARG HG3 H 1.542 . . 634 . 66 ARG HD2 H 3.110 . . 635 . 66 ARG HD3 H 3.067 . . 636 . 66 ARG CA C 56.533 . . 637 . 66 ARG CB C 25.422 . . 638 . 66 ARG CG C 27.662 . . 639 . 66 ARG CD C 42.596 . . 640 . 66 ARG N N 114.205 . . 641 . 67 TYR H H 8.225 . . 642 . 67 TYR HA H 4.086 . . 643 . 67 TYR HB2 H 2.975 . . 644 . 67 TYR HB3 H 2.093 . . 645 . 67 TYR HD1 H 6.320 . . 646 . 67 TYR HE1 H 6.737 . . 647 . 67 TYR CA C 60.018 . . 648 . 67 TYR CB C 40.605 . . 649 . 67 TYR CD1 C 133.297 . . 650 . 67 TYR CE1 C 117.561 . . 651 . 67 TYR N N 116.829 . . 652 . 68 TYR H H 8.011 . . 653 . 68 TYR HA H 4.562 . . 654 . 68 TYR HB2 H 3.104 . . 655 . 68 TYR HB3 H 2.918 . . 656 . 68 TYR HD1 H 7.189 . . 657 . 68 TYR HE1 H 7.331 . . 658 . 68 TYR CA C 57.778 . . 659 . 68 TYR CB C 36.077 . . 660 . 68 TYR CD1 C 131.847 . . 661 . 68 TYR CE1 C 119.010 . . 662 . 68 TYR N N 114.822 . . 663 . 69 VAL H H 7.689 . . 664 . 69 VAL HA H 4.110 . . 665 . 69 VAL HB H 2.337 . . 666 . 69 VAL HG1 H 0.977 . . 667 . 69 VAL HG2 H 0.848 . . 668 . 69 VAL CA C 62.009 . . 669 . 69 VAL CB C 31.411 . . 670 . 69 VAL CG1 C 21.441 . . 671 . 69 VAL CG2 C 18.703 . . 672 . 69 VAL N N 115.903 . . 673 . 70 SER H H 7.432 . . 674 . 70 SER HA H 4.802 . . 675 . 70 SER HB2 H 4.214 . . 676 . 70 SER HB3 H 3.753 . . 677 . 70 SER CA C 55.538 . . 678 . 70 SER CB C 66.240 . . 679 . 70 SER N N 111.426 . . 680 . 71 LYS HA H 4.514 . . 681 . 71 LYS CA C 55.787 . . 682 . 72 LYS H H 8.259 . . 683 . 72 LYS HA H 4.069 . . 684 . 72 LYS HB2 H 1.893 . . 685 . 72 LYS HB3 H 1.857 . . 686 . 72 LYS HG2 H 1.505 . . 687 . 72 LYS HD2 H 1.673 . . 688 . 72 LYS HE2 H 3.237 . . 689 . 72 LYS CA C 59.520 . . 690 . 72 LYS CB C 31.644 . . 691 . 72 LYS CG C 24.675 . . 692 . 72 LYS CD C 28.409 . . 693 . 72 LYS CE C 41.351 . . 694 . 72 LYS N N 120.226 . . 695 . 73 LEU H H 7.420 . . 696 . 73 LEU HA H 4.251 . . 697 . 73 LEU HB2 H 2.022 . . 698 . 73 LEU HB3 H 1.920 . . 699 . 73 LEU HG H 1.787 . . 700 . 73 LEU HD1 H 0.969 . . 701 . 73 LEU HD2 H 0.919 . . 702 . 73 LEU CA C 57.778 . . 703 . 73 LEU CB C 43.591 . . 704 . 73 LEU CG C 27.414 . . 705 . 73 LEU CD1 C 25.758 . . 706 . 73 LEU CD2 C 23.432 . . 707 . 73 LEU N N 118.836 . . 708 . 74 PHE H H 6.945 . . 709 . 74 PHE HA H 3.778 . . 710 . 74 PHE HB2 H 2.988 . . 711 . 74 PHE HB3 H 2.432 . . 712 . 74 PHE HD1 H 6.415 . . 713 . 74 PHE HE1 H 6.960 . . 714 . 74 PHE HZ H 7.060 . . 715 . 74 PHE CA C 60.765 . . 716 . 74 PHE CB C 39.609 . . 717 . 74 PHE CD1 C 132.262 . . 718 . 74 PHE CE1 C 130.191 . . 719 . 74 PHE N N 118.836 . . 720 . 75 MET H H 8.509 . . 721 . 75 MET HA H 3.945 . . 722 . 75 MET HB2 H 2.339 . . 723 . 75 MET HB3 H 2.229 . . 724 . 75 MET HG2 H 2.954 . . 725 . 75 MET HG3 H 2.631 . . 726 . 75 MET HE H 2.094 . . 727 . 75 MET CA C 59.022 . . 728 . 75 MET CB C 32.391 . . 729 . 75 MET CG C 32.292 . . 730 . 75 MET CE C 16.961 . . 731 . 75 MET N N 116.366 . . 732 . 76 ALA H H 8.016 . . 733 . 76 ALA HA H 4.102 . . 734 . 76 ALA HB H 1.520 . . 735 . 76 ALA CA C 55.040 . . 736 . 76 ALA CB C 18.204 . . 737 . 76 ALA N N 119.917 . . 738 . 77 ASP H H 7.385 . . 739 . 77 ASP HA H 4.371 . . 740 . 77 ASP HB2 H 2.742 . . 741 . 77 ASP CA C 57.529 . . 742 . 77 ASP CB C 38.614 . . 743 . 77 ASP N N 119.763 . . 744 . 78 LEU H H 7.408 . . 745 . 78 LEU HA H 3.413 . . 746 . 78 LEU HB2 H 0.758 . . 747 . 78 LEU HB3 H 0.468 . . 748 . 78 LEU HG H 0.700 . . 749 . 78 LEU HD1 H 0.103 . . 750 . 78 LEU HD2 H 0.213 . . 751 . 78 LEU CA C 57.778 . . 752 . 78 LEU CB C 40.107 . . 753 . 78 LEU CG C 27.663 . . 754 . 78 LEU CD1 C 25.921 . . 755 . 78 LEU CD2 C 24.177 . . 756 . 78 LEU N N 119.608 . . 757 . 79 GLN H H 8.085 . . 758 . 79 GLN HA H 3.826 . . 759 . 79 GLN HB2 H 2.201 . . 760 . 79 GLN HB3 H 2.083 . . 761 . 79 GLN HG2 H 2.450 . . 762 . 79 GLN HG3 H 2.461 . . 763 . 79 GLN HE21 H 7.301 . . 764 . 79 GLN HE22 H 7.195 . . 765 . 79 GLN CA C 59.022 . . 766 . 79 GLN CB C 28.907 . . 767 . 79 GLN CG C 35.331 . . 768 . 79 GLN CD C 180.113 . . 769 . 79 GLN N N 114.050 . . 770 . 79 GLN NE2 N 111.271 . . 771 . 80 ARG H H 7.387 . . 772 . 80 ARG HA H 4.085 . . 773 . 80 ARG HB2 H 2.004 . . 774 . 80 ARG HB3 H 1.920 . . 775 . 80 ARG HG2 H 1.754 . . 776 . 80 ARG HD2 H 3.392 . . 777 . 80 ARG HD3 H 3.323 . . 778 . 80 ARG CA C 58.276 . . 779 . 80 ARG CB C 29.653 . . 780 . 80 ARG CG C 26.916 . . 781 . 80 ARG CD C 43.094 . . 782 . 80 ARG N N 118.682 . . 783 . 81 VAL H H 6.970 . . 784 . 81 VAL HA H 3.118 . . 785 . 81 VAL HB H 1.488 . . 786 . 81 VAL HG1 H 0.504 . . 787 . 81 VAL HG2 H 0.154 . . 788 . 81 VAL CA C 66.493 . . 789 . 81 VAL CB C 30.649 . . 790 . 81 VAL CG1 C 22.187 . . 791 . 81 VAL CG2 C 21.720 . . 792 . 81 VAL N N 117.910 . . 793 . 82 PHE H H 6.381 . . 794 . 82 PHE HA H 4.180 . . 795 . 82 PHE HB2 H 3.140 . . 796 . 82 PHE HB3 H 2.999 . . 797 . 82 PHE HD1 H 6.700 . . 798 . 82 PHE HE1 H 6.522 . . 799 . 82 PHE HZ H 6.471 . . 800 . 82 PHE CA C 58.500 . . 801 . 82 PHE CB C 37.867 . . 802 . 82 PHE CD1 C 131.019 . . 803 . 82 PHE CE1 C 130.812 . . 804 . 82 PHE CZ C 128.121 . . 805 . 82 PHE N N 116.984 . . 806 . 83 THR H H 9.063 . . 807 . 83 THR HA H 3.877 . . 808 . 83 THR HB H 4.233 . . 809 . 83 THR HG2 H 1.327 . . 810 . 83 THR CA C 66.573 . . 811 . 83 THR CB C 68.231 . . 812 . 83 THR CG2 C 22.216 . . 813 . 83 THR N N 114.977 . . 814 . 84 ASN H H 8.889 . . 815 . 84 ASN HA H 4.329 . . 816 . 84 ASN HB2 H 3.055 . . 817 . 84 ASN HB3 H 2.624 . . 818 . 84 ASN CA C 55.289 . . 819 . 84 ASN CB C 37.618 . . 820 . 84 ASN N N 120.998 . . 821 . 85 CYS H H 6.926 . . 822 . 85 CYS HA H 4.548 . . 823 . 85 CYS HB2 H 3.398 . . 824 . 85 CYS HB3 H 3.083 . . 825 . 85 CYS CA C 61.746 . . 826 . 85 CYS CB C 26.666 . . 827 . 85 CYS N N 117.138 . . 828 . 86 LYS H H 7.730 . . 829 . 86 LYS HA H 4.245 . . 830 . 86 LYS HB2 H 1.780 . . 831 . 86 LYS HG2 H 1.306 . . 832 . 86 LYS HG3 H 0.094 . . 833 . 86 LYS HD2 H 1.366 . . 834 . 86 LYS HD3 H 1.310 . . 835 . 86 LYS HE2 H 2.519 . . 836 . 86 LYS HE3 H 2.466 . . 837 . 86 LYS CA C 58.499 . . 838 . 86 LYS CB C 32.446 . . 839 . 86 LYS CG C 25.422 . . 840 . 86 LYS CD C 29.654 . . 841 . 86 LYS CE C 41.103 . . 842 . 86 LYS N N 116.984 . . 843 . 87 GLU H H 7.986 . . 844 . 87 GLU HA H 4.286 . . 845 . 87 GLU HB2 H 2.183 . . 846 . 87 GLU HB3 H 2.002 . . 847 . 87 GLU HG2 H 2.414 . . 848 . 87 GLU HG3 H 2.201 . . 849 . 87 GLU CA C 57.951 . . 850 . 87 GLU CB C 30.151 . . 851 . 87 GLU CG C 36.390 . . 852 . 87 GLU N N 118.373 . . 853 . 88 TYR H H 7.932 . . 854 . 88 TYR HA H 4.315 . . 855 . 88 TYR HB2 H 2.933 . . 856 . 88 TYR HB3 H 2.887 . . 857 . 88 TYR HD1 H 7.069 . . 858 . 88 TYR HE1 H 6.844 . . 859 . 88 TYR CA C 61.262 . . 860 . 88 TYR CB C 40.854 . . 861 . 88 TYR CD1 C 133.297 . . 862 . 88 TYR CE1 C 118.182 . . 863 . 88 TYR N N 115.903 . . 864 . 89 ASN H H 8.083 . . 865 . 89 ASN HA H 5.047 . . 866 . 89 ASN HB2 H 3.207 . . 867 . 89 ASN HB3 H 2.974 . . 868 . 89 ASN HD21 H 8.355 . . 869 . 89 ASN HD22 H 7.791 . . 870 . 89 ASN CA C 51.817 . . 871 . 89 ASN CB C 40.605 . . 872 . 89 ASN N N 115.285 . . 873 . 89 ASN ND2 N 119.416 . . 874 . 90 PRO HA H 4.844 . . 875 . 90 PRO HB2 H 2.414 . . 876 . 90 PRO HB3 H 2.188 . . 877 . 90 PRO HD2 H 4.016 . . 878 . 90 PRO HD3 H 3.849 . . 879 . 90 PRO CA C 61.262 . . 880 . 90 PRO CB C 31.147 . . 881 . 90 PRO CD C 50.311 . . 882 . 91 PRO HA H 2.499 . . 883 . 91 PRO HB2 H 1.612 . . 884 . 91 PRO HG2 H 1.981 . . 885 . 91 PRO HG3 H 1.701 . . 886 . 91 PRO HD2 H 3.688 . . 887 . 91 PRO HD3 H 3.683 . . 888 . 91 PRO CA C 63.751 . . 889 . 91 PRO CB C 31.645 . . 890 . 91 PRO CG C 27.414 . . 891 . 91 PRO CD C 50.560 . . 892 . 92 GLU H H 8.341 . . 893 . 92 GLU HA H 4.201 . . 894 . 92 GLU HB2 H 2.120 . . 895 . 92 GLU HB3 H 1.976 . . 896 . 92 GLU HG2 H 2.381 . . 897 . 92 GLU HG3 H 2.234 . . 898 . 92 GLU CA C 56.992 . . 899 . 92 GLU CB C 28.409 . . 900 . 92 GLU CG C 37.120 . . 901 . 92 GLU N N 112.970 . . 902 . 93 SER H H 8.046 . . 903 . 93 SER HA H 4.411 . . 904 . 93 SER HB2 H 4.283 . . 905 . 93 SER HB3 H 4.206 . . 906 . 93 SER CA C 58.276 . . 907 . 93 SER CB C 66.240 . . 908 . 93 SER N N 115.496 . . 909 . 94 GLU H H 9.149 . . 910 . 94 GLU HA H 4.235 . . 911 . 94 GLU HB2 H 2.138 . . 912 . 94 GLU HB3 H 2.034 . . 913 . 94 GLU HG2 H 2.248 . . 914 . 94 GLU CA C 59.082 . . 915 . 94 GLU CB C 28.658 . . 916 . 94 GLU CG C 36.060 . . 917 . 94 GLU N N 123.005 . . 918 . 95 TYR H H 6.653 . . 919 . 95 TYR HA H 3.596 . . 920 . 95 TYR HB2 H 2.903 . . 921 . 95 TYR HB3 H 2.443 . . 922 . 95 TYR HD1 H 6.519 . . 923 . 95 TYR HD2 H 6.868 . . 924 . 95 TYR HE1 H 6.595 . . 925 . 95 TYR CA C 60.018 . . 926 . 95 TYR CB C 38.863 . . 927 . 95 TYR CD1 C 130.812 . . 928 . 95 TYR CE1 C 118.389 . . 929 . 95 TYR N N 113.896 . . 930 . 96 TYR H H 7.336 . . 931 . 96 TYR HA H 3.806 . . 932 . 96 TYR HB2 H 3.414 . . 933 . 96 TYR HB3 H 2.542 . . 934 . 96 TYR HD1 H 7.097 . . 935 . 96 TYR HE1 H 7.028 . . 936 . 96 TYR CA C 61.597 . . 937 . 96 TYR CB C 40.107 . . 938 . 96 TYR CD1 C 134.953 . . 939 . 96 TYR CE1 C 117.975 . . 940 . 96 TYR N N 119.454 . . 941 . 97 LYS H H 7.893 . . 942 . 97 LYS HA H 4.205 . . 943 . 97 LYS HB2 H 2.067 . . 944 . 97 LYS HG2 H 1.831 . . 945 . 97 LYS HG3 H 1.551 . . 946 . 97 LYS HD2 H 1.771 . . 947 . 97 LYS HE2 H 3.006 . . 948 . 97 LYS CA C 60.516 . . 949 . 97 LYS CB C 32.392 . . 950 . 97 LYS CG C 25.672 . . 951 . 97 LYS CD C 29.653 . . 952 . 97 LYS CE C 41.866 . . 953 . 97 LYS N N 117.756 . . 954 . 98 CYS H H 8.452 . . 955 . 98 CYS HA H 4.201 . . 956 . 98 CYS HB2 H 3.425 . . 957 . 98 CYS HB3 H 3.069 . . 958 . 98 CYS CA C 64.996 . . 959 . 98 CYS CB C 26.655 . . 960 . 98 CYS N N 116.521 . . 961 . 99 ALA H H 8.208 . . 962 . 99 ALA HA H 3.931 . . 963 . 99 ALA HB H 1.657 . . 964 . 99 ALA CA C 55.289 . . 965 . 99 ALA CB C 18.323 . . 966 . 99 ALA N N 120.380 . . 967 . 100 ASN H H 8.092 . . 968 . 100 ASN HA H 4.375 . . 969 . 100 ASN HB2 H 2.920 . . 970 . 100 ASN HB3 H 2.894 . . 971 . 100 ASN CA C 56.036 . . 972 . 100 ASN CB C 38.863 . . 973 . 100 ASN N N 115.440 . . 974 . 101 ILE H H 7.936 . . 975 . 101 ILE HA H 3.688 . . 976 . 101 ILE HB H 1.939 . . 977 . 101 ILE HG12 H 1.871 . . 978 . 101 ILE HG13 H 1.213 . . 979 . 101 ILE HG2 H 1.020 . . 980 . 101 ILE HD1 H 0.981 . . 981 . 101 ILE CA C 64.747 . . 982 . 101 ILE CB C 38.862 . . 983 . 101 ILE CG1 C 29.404 . . 984 . 101 ILE CG2 C 17.706 . . 985 . 101 ILE CD1 C 13.475 . . 986 . 101 ILE N N 120.072 . . 987 . 102 LEU H H 8.543 . . 988 . 102 LEU HA H 3.722 . . 989 . 102 LEU HB2 H 1.492 . . 990 . 102 LEU HB3 H 1.289 . . 991 . 102 LEU HG H 1.625 . . 992 . 102 LEU HD1 H 0.788 . . 993 . 102 LEU HD2 H 0.791 . . 994 . 102 LEU CA C 56.534 . . 995 . 102 LEU CB C 41.600 . . 996 . 102 LEU CG C 26.666 . . 997 . 102 LEU CD1 C 25.173 . . 998 . 102 LEU CD2 C 24.188 . . 999 . 102 LEU N N 122.542 . . 1000 . 103 GLU H H 8.092 . . 1001 . 103 GLU HA H 3.225 . . 1002 . 103 GLU HB2 H 1.775 . . 1003 . 103 GLU HB3 H 1.339 . . 1004 . 103 GLU HG2 H 2.040 . . 1005 . 103 GLU HG3 H 1.971 . . 1006 . 103 GLU CA C 59.520 . . 1007 . 103 GLU CB C 29.816 . . 1008 . 103 GLU CG C 37.120 . . 1009 . 103 GLU N N 120.844 . . 1010 . 104 LYS H H 7.195 . . 1011 . 104 LYS HA H 4.109 . . 1012 . 104 LYS HB2 H 1.981 . . 1013 . 104 LYS HG2 H 1.538 . . 1014 . 104 LYS HG3 H 1.439 . . 1015 . 104 LYS HD2 H 1.748 . . 1016 . 104 LYS HE2 H 3.011 . . 1017 . 104 LYS CA C 59.520 . . 1018 . 104 LYS CB C 32.143 . . 1019 . 104 LYS CG C 25.174 . . 1020 . 104 LYS CD C 29.053 . . 1021 . 104 LYS CE C 41.855 . . 1022 . 104 LYS N N 117.601 . . 1023 . 105 PHE H H 7.901 . . 1024 . 105 PHE HA H 4.354 . . 1025 . 105 PHE HB2 H 3.159 . . 1026 . 105 PHE HB3 H 3.104 . . 1027 . 105 PHE HD1 H 7.218 . . 1028 . 105 PHE HE1 H 7.345 . . 1029 . 105 PHE HZ H 7.473 . . 1030 . 105 PHE CA C 61.431 . . 1031 . 105 PHE CB C 39.112 . . 1032 . 105 PHE CD1 C 131.976 . . 1033 . 105 PHE N N 121.152 . . 1034 . 106 PHE H H 9.159 . . 1035 . 106 PHE HA H 4.006 . . 1036 . 106 PHE HB2 H 3.342 . . 1037 . 106 PHE HB3 H 3.140 . . 1038 . 106 PHE HD1 H 6.952 . . 1039 . 106 PHE HE1 H 7.066 . . 1040 . 106 PHE HZ H 7.331 . . 1041 . 106 PHE CA C 60.516 . . 1042 . 106 PHE CB C 38.614 . . 1043 . 106 PHE CD1 C 132.273 . . 1044 . 106 PHE CE1 C 131.138 . . 1045 . 106 PHE CZ C 131.433 . . 1046 . 106 PHE N N 120.680 . . 1047 . 107 PHE H H 8.386 . . 1048 . 107 PHE HA H 3.862 . . 1049 . 107 PHE HB2 H 3.090 . . 1050 . 107 PHE HD1 H 7.225 . . 1051 . 107 PHE HE1 H 7.370 . . 1052 . 107 PHE HZ H 7.473 . . 1053 . 107 PHE CA C 61.511 . . 1054 . 107 PHE CB C 37.867 . . 1055 . 107 PHE CD1 C 131.405 . . 1056 . 107 PHE CE1 C 131.226 . . 1057 . 107 PHE CZ C 130.191 . . 1058 . 107 PHE N N 118.064 . . 1059 . 108 SER H H 7.911 . . 1060 . 108 SER HA H 4.238 . . 1061 . 108 SER HB2 H 4.026 . . 1062 . 108 SER CA C 61.511 . . 1063 . 108 SER CB C 62.591 . . 1064 . 108 SER N N 114.822 . . 1065 . 109 LYS H H 7.999 . . 1066 . 109 LYS HA H 4.061 . . 1067 . 109 LYS HB2 H 1.768 . . 1068 . 109 LYS HB3 H 1.575 . . 1069 . 109 LYS HG2 H 0.842 . . 1070 . 109 LYS HD2 H 1.413 . . 1071 . 109 LYS HE2 H 2.615 . . 1072 . 109 LYS HE3 H 2.478 . . 1073 . 109 LYS CA C 56.783 . . 1074 . 109 LYS CB C 31.396 . . 1075 . 109 LYS CG C 23.020 . . 1076 . 109 LYS CD C 27.005 . . 1077 . 109 LYS CE C 42.098 . . 1078 . 109 LYS N N 120.998 . . 1079 . 110 ILE H H 8.109 . . 1080 . 110 ILE HA H 3.852 . . 1081 . 110 ILE HB H 1.782 . . 1082 . 110 ILE HG12 H 1.167 . . 1083 . 110 ILE HG13 H 1.088 . . 1084 . 110 ILE HG2 H 0.680 . . 1085 . 110 ILE HD1 H 0.548 . . 1086 . 110 ILE CA C 64.249 . . 1087 . 110 ILE CB C 37.120 . . 1088 . 110 ILE CG1 C 26.418 . . 1089 . 110 ILE CG2 C 18.703 . . 1090 . 110 ILE CD1 C 13.227 . . 1091 . 110 ILE N N 116.984 . . 1092 . 111 LYS H H 7.567 . . 1093 . 111 LYS HA H 4.067 . . 1094 . 111 LYS HB2 H 1.916 . . 1095 . 111 LYS HB3 H 1.794 . . 1096 . 111 LYS HG2 H 1.444 . . 1097 . 111 LYS HG3 H 1.343 . . 1098 . 111 LYS HD2 H 1.665 . . 1099 . 111 LYS HE2 H 2.948 . . 1100 . 111 LYS CA C 59.520 . . 1101 . 111 LYS CB C 32.640 . . 1102 . 111 LYS CG C 25.173 . . 1103 . 111 LYS CD C 29.409 . . 1104 . 111 LYS CE C 41.351 . . 1105 . 111 LYS N N 122.387 . . 1106 . 112 GLU H H 8.069 . . 1107 . 112 GLU HA H 4.011 . . 1108 . 112 GLU HB2 H 2.095 . . 1109 . 112 GLU HG2 H 2.405 . . 1110 . 112 GLU HG3 H 2.235 . . 1111 . 112 GLU CA C 58.525 . . 1112 . 112 GLU CB C 30.077 . . 1113 . 112 GLU CG C 35.876 . . 1114 . 112 GLU N N 121.152 . . 1115 . 113 ALA H H 7.620 . . 1116 . 113 ALA HA H 4.316 . . 1117 . 113 ALA HB H 1.396 . . 1118 . 113 ALA CA C 52.302 . . 1119 . 113 ALA CB C 19.449 . . 1120 . 113 ALA N N 117.910 . . 1121 . 114 GLY H H 7.761 . . 1122 . 114 GLY HA2 H 4.325 . . 1123 . 114 GLY HA3 H 4.094 . . 1124 . 114 GLY CA C 46.021 . . 1125 . 114 GLY N N 126.093 . . 1126 . 115 LEU H H 7.740 . . 1127 . 115 LEU HA H 4.234 . . 1128 . 115 LEU HB2 H 1.620 . . 1129 . 115 LEU HB3 H 1.607 . . 1130 . 115 LEU HG H 1.553 . . 1131 . 115 LEU HD1 H 0.741 . . 1132 . 115 LEU HD2 H 0.768 . . 1133 . 115 LEU CA C 55.538 . . 1134 . 115 LEU CB C 42.845 . . 1135 . 115 LEU CG C 27.077 . . 1136 . 115 LEU CD1 C 25.485 . . 1137 . 115 LEU CD2 C 23.302 . . 1138 . 115 LEU N N 117.910 . . 1139 . 116 ILE H H 7.483 . . 1140 . 116 ILE HA H 4.262 . . 1141 . 116 ILE HB H 1.841 . . 1142 . 116 ILE HG12 H 1.332 . . 1143 . 116 ILE HG13 H 0.959 . . 1144 . 116 ILE HG2 H 0.842 . . 1145 . 116 ILE HD1 H 0.811 . . 1146 . 116 ILE CA C 60.018 . . 1147 . 116 ILE CB C 39.609 . . 1148 . 116 ILE CG1 C 26.916 . . 1149 . 116 ILE CG2 C 17.707 . . 1150 . 116 ILE CD1 C 13.193 . . 1151 . 116 ILE N N 115.440 . . 1152 . 117 ASP H H 8.321 . . 1153 . 117 ASP HA H 4.588 . . 1154 . 117 ASP HB2 H 2.728 . . 1155 . 117 ASP HB3 H 2.571 . . 1156 . 117 ASP CA C 54.543 . . 1157 . 117 ASP CB C 41.387 . . 1158 . 117 ASP N N 123.623 . . 1159 . 118 LYS H H 7.765 . . 1160 . 118 LYS HA H 4.070 . . 1161 . 118 LYS HB2 H 1.813 . . 1162 . 118 LYS HB3 H 1.690 . . 1163 . 118 LYS HG2 H 1.410 . . 1164 . 118 LYS HD2 H 1.672 . . 1165 . 118 LYS HE2 H 2.997 . . 1166 . 118 LYS CA C 57.883 . . 1167 . 118 LYS CB C 33.670 . . 1168 . 118 LYS CG C 24.639 . . 1169 . 118 LYS CD C 29.653 . . 1170 . 118 LYS CE C 40.506 . . 1171 . 118 LYS N N 125.475 . . stop_ save_ save_chemical_shift_set_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_ref_1 _Mol_system_component_name NP1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 NP1 HA1 H 3.123 . . 2 . 1 NP1 HA2 H 3.123 . . 3 . 1 NP1 HB1 H 2.083 . . 4 . 1 NP1 HB2 H 2.083 . . 5 . 1 NP1 HG1 H 3.577 . . 6 . 1 NP1 HG2 H 3.577 . . 7 . 1 NP1 HE1 H 6.988 . . stop_ save_